N-[4-[[3,5-dichloro-4-(dimethylaminomethylideneamino)phenyl]iminomethyl]phenyl]acetamide

C18H18Cl2N4O — CID 13064597

IUPACN-[4-[[3,5-dichloro-4-(dimethylaminomethylideneamino)phenyl]iminomethyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(/C=N/c2cc(Cl)c(/N=C/N(C)C)c(Cl)c2)cc1
InChIInChI=1S/C18H18Cl2N4O/c1-12(25)23-14-6-4-13(5-7-14)10-21-15-8-16(19)18(17(20)9-15)22-11-24(2)3/h4-11H,1-3H3,(H,23,25)/b21-10+,22-11+
InChIKeyJYTPKWGSNWXNIR-OIEABDAFSA-N
MW377.28 g/mol
LogP4.92
Rot. Bonds5

About N-[4-[[3,5-dichloro-4-(dimethylaminomethylideneamino)phenyl]iminomethyl]phenyl]acetamide

N-[4-[[3,5-dichloro-4-(dimethylaminomethylideneamino)phenyl]iminomethyl]phenyl]acetamide (PubChem CID 13064597) has the molecular formula C18H18Cl2N4O and a molecular weight of 377.28 g/mol. Its IUPAC name is N-[4-[[3,5-dichloro-4-(dimethylaminomethylideneamino)phenyl]iminomethyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[[3,5-dichloro-4-(dimethylaminomethylideneamino)phenyl]iminomethyl]phenyl]acetamide
PubChem CID13064597
Molecular FormulaC18H18Cl2N4O
Molecular Weight377.28 g/mol
Exact Mass376.09
IUPAC NameN-[4-[[3,5-dichloro-4-(dimethylaminomethylideneamino)phenyl]iminomethyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(/C=N/c2cc(Cl)c(/N=C/N(C)C)c(Cl)c2)cc1
InChIInChI=1S/C18H18Cl2N4O/c1-12(25)23-14-6-4-13(5-7-14)10-21-15-8-16(19)18(17(20)9-15)22-11-24(2)3/h4-11H,1-3H3,(H,23,25)/b21-10+,22-11+
InChIKeyJYTPKWGSNWXNIR-OIEABDAFSA-N
XLogP4.92
TPSA57.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.28
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[4-[[3,5-dichloro-4-(dimethylaminomethylideneamino)phenyl]iminomethyl]phenyl]acetamide?
The IUPAC name of N-[4-[[3,5-dichloro-4-(dimethylaminomethylideneamino)phenyl]iminomethyl]phenyl]acetamide (CID 13064597) is N-[4-[[3,5-dichloro-4-(dimethylaminomethylideneamino)phenyl]iminomethyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[[3,5-dichloro-4-(dimethylaminomethylideneamino)phenyl]iminomethyl]phenyl]acetamide?
The canonical SMILES for N-[4-[[3,5-dichloro-4-(dimethylaminomethylideneamino)phenyl]iminomethyl]phenyl]acetamide is CC(=O)Nc1ccc(/C=N/c2cc(Cl)c(/N=C/N(C)C)c(Cl)c2)cc1.
What is the InChIKey of N-[4-[[3,5-dichloro-4-(dimethylaminomethylideneamino)phenyl]iminomethyl]phenyl]acetamide?
The InChIKey is JYTPKWGSNWXNIR-OIEABDAFSA-N. The full InChI is InChI=1S/C18H18Cl2N4O/c1-12(25)23-14-6-4-13(5-7-14)10-21-15-8-16(19)18(17(20)9-15)22-11-24(2)3/h4-11H,1-3H3,(H,23,25)/b21-10+,22-11+.
What are the key properties of N-[4-[[3,5-dichloro-4-(dimethylaminomethylideneamino)phenyl]iminomethyl]phenyl]acetamide?
N-[4-[[3,5-dichloro-4-(dimethylaminomethylideneamino)phenyl]iminomethyl]phenyl]acetamide has a molecular weight of 377.28 g/mol, XLogP of 4.92, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[3,5-dichloro-4-(dimethylaminomethylideneamino)phenyl]iminomethyl]phenyl]acetamide is sourced from PubChem (CID 13064597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).